Bilastine-d6 , CAS No.1215358-58-9

CAS: 1215358-58-9 Cat. No.: B647992 Fórmula: C₂₈H₃₁D₆N₃O₃ Peso molecular: 469.65 PubChem CID: 57369243

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Bilastine-d 6 is the deuterium labeled Bilastine. Bilastine is a selective histamine H1 receptor antagonist used for treatment of allergic rhinoconjunctivitis and urticaria.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Mecanismos bioquímicos e fisiológicos

Bilastine-d 6 is the deuterium labeled Bilastine. Bilastine is a selective histamine H1 receptor antagonist used for treatment of allergic rhinoconjunctivitis and urticaria.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Nomes e identificadores

• Sorrisos canónicos: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC(=CC=C4)C(C)(C)C(=O)O
• IUPAC Name: 3,3,3-trideuterio-2-[3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-(trideuteriomethyl)propanoic acid
• InChIKey: YQBLDZMARIUXJI-XERRXZQWSA-N
• INCHI: 1S/C28H37N3O3/c1-4-34-19-18-31-25-11-6-5-10-24(25)29-26(31)22-13-16-30(17-14-22)15-12-21-8-7-9-23(20-21)28(2,3)27(32)33/h5-11,20,22H,4,12-19H2,1-3H3,(H,32,33)/i2D3,3D3
• SMILES isoméricas: [2H]C([2H])([2H])C(C1=CC=CC(=C1)CCN2CCC(CC2)C3=NC4=CC=CC=C4N3CCOCC)(C(=O)O)C([2H])([2H])[2H]
• PubChem CID: 57369243
• Peso molecular: 469.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Phenylpropanes Phenethylamines Aralkylamines Piperidines N-substituted imidazoles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Phenylpropane - Phenethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Perguntas frequentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1215358-58-9, the molecular formula is C28H31D6N3O3, and the molecular weight is 469.65 g/mol. InChIKey YQBLDZMARIUXJI-XERRXZQWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.